SCHEMBL4117490

SCHEMBL4117490

CN(C(=O)O)c1ncccc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.37
DPP4 P27487 1/20 0.36
KCNA5 P22460 1/20 0.35
PTK2 Q05397 2/20 0.35
NAPRT Q6XQN6 2/20 0.35
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
MYC P01106 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21121863 0.87 KDM4E (0.41) KDM4ECYP1A2MAPTMAPK1KCNA5
SCHEMBL6191568 0.79 DPP4 (0.42) KDM4ECYP1A2MAPK1DPP4KCNA5
Acetic Acid SCHEMBL1627284 0.78 PTK2 (0.49) PTK2
Hydrochloric Acid SCHEMBL30209077 0.78 DPP4 (0.41) KDM4ECYP1A2MAPK1DPP4KCNA5
SCHEMBL4105387 0.76 GRM5 (0.54) KDM4ECYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL21122067 0.75 BACE1 (0.41) KDM4ECYP1A2MAPTMAPK1
SCHEMBL2179960 0.75 NAPRT (0.55) KDM4EMAPTNAPRTSMN1; SMN2ALDH1A1
SCHEMBL3078744 0.75 NAPRT (0.38) KDM4EMAPTNAPRTSMN1; SMN2ALDH1A1
SCHEMBL408023 0.74 PTK2 (0.54) PTK2
SCHEMBL23061476 0.74 HTT (0.37) CYP1A2MAPTSMN1; SMN2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3309/4885CYP1A2 1688/4885MAPT 540/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3309/4885CYP1A2 1688/4885MAPT 540/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.